![CAS 162265-51-2 2-(2-aMinoethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/162265-51-2.gif)
CAS RN: 162265-51-2
2-(2-aMinoethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
- Product code: SSC-069812
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
162265-51-2 / 2-(2-aminoethyl)benzo[de]isoquinoline-1,3-dione
Basic Information
CAS
162265-51-2
Multi CAS
No
Molecular Formula
C14H12N2O2
Molecular Weight
240.260000
Exact Mass
240.089878
SMILES
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCN
InChI
InChI=1S/C14H12N2O2/c15-7-8-16-13(17)10-5-1-3-9-4-2-6-11(12(9)10)14(16)18/h1-6H,7-8,15H2
InChIKey
SEWZPYPLFLUCCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.37
TPSA
63.4
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
1.2
Consensus LogP
1.27
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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